4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde

C7H5F2IN2O — CID 118833462

IUPAC4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde
SMILESNc1c(C(F)F)cnc(I)c1C=O
InChIInChI=1S/C7H5F2IN2O/c8-6(9)3-1-12-7(10)4(2-13)5(3)11/h1-2,6H,(H2,11,12)
InChIKeyBZYYAXUMZLWINO-UHFFFAOYSA-N
MW298.03 g/mol
LogP2.02
Rot. Bonds2

About 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde

4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde (PubChem CID 118833462) has the molecular formula C7H5F2IN2O and a molecular weight of 298.03 g/mol. Its IUPAC name is 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde
PubChem CID118833462
Molecular FormulaC7H5F2IN2O
Molecular Weight298.03 g/mol
Exact Mass297.94
IUPAC Name4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde
SMILESNc1c(C(F)F)cnc(I)c1C=O
InChIInChI=1S/C7H5F2IN2O/c8-6(9)3-1-12-7(10)4(2-13)5(3)11/h1-2,6H,(H2,11,12)
InChIKeyBZYYAXUMZLWINO-UHFFFAOYSA-N
XLogP2.02
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.03
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118805849
5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde
CID 130086220
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
3-chloro-5-(difluoromethyl)-2-iodopyridin-4-amine
CID 118829021
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
CID 130086717
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 130105680
5-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100477

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde?
The IUPAC name of 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde (CID 118833462) is 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde?
The canonical SMILES for 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde is Nc1c(C(F)F)cnc(I)c1C=O.
What is the InChIKey of 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde?
The InChIKey is BZYYAXUMZLWINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O/c8-6(9)3-1-12-7(10)4(2-13)5(3)11/h1-2,6H,(H2,11,12).
What are the key properties of 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde?
4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde has a molecular weight of 298.03 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 118833462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).